SCHEMBL1669044

SCHEMBL1669044

CC1(C)OCCn2c1nc(C(=O)NNC(=O)Cc1ccc(F)cc1)c(OCc1ccccc1)c2=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
LMNA P02545 5/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.35
PRKAA2 P54646 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GRM5 P41594 1/20 0.34
CHRM4 P08173 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1668956 0.89 FAAH (0.35) FAAHLMNAALDH1A1RAB9AL3MBTL1
SCHEMBL12225783 0.89 L3MBTL1 (0.37) FAAHLMNAALDH1A1RAB9AL3MBTL1
SCHEMBL1668806 0.84 GRM5 (0.37) FAAHLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL1669133 0.84 GRM5 (0.37) FAAHLMNAALDH1A1KMT2AMAPT
SCHEMBL1669098 0.83 CTSL (0.37)
SCHEMBL1170192 0.82 GRM5 (0.39) FAAHLMNAALDH1A1MAPTGRM5
SCHEMBL4039718 0.82 MEN1 (0.35) LMNAL3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL4036115 0.82 KMT2A (0.36) FAAHALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL4036499 0.81 MEN1 (0.34) LMNAL3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL14511038 0.81 L3MBTL1 (0.36) LMNAALDH1A1L3MBTL1SMN1; SMN2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
EP-2488517-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2012-08-22 EP disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
WO-2011046873-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110245241-A1 HIV Integrase Inhibitors DNTT, POLB, UNG FAAH 4399/4885LMNA 1838/4885ALDH1A1 539/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.